(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid

C11H13NO4 — CID 67681824

IUPAC(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)c1ccccc1C
InChIInChI=1S/C11H13NO4/c1-7-5-3-4-6-8(7)9(10(13)14)12-11(15)16-2/h3-6,9H,1-2H3,(H,12,15)(H,13,14)/t9-/m1/s1
InChIKeyOJAHMEKGQSDVOR-SECBINFHSA-N
MW223.23 g/mol
LogP1.48
Rot. Bonds3

About (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid

(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid (PubChem CID 67681824) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
PubChem CID67681824
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)c1ccccc1C
InChIInChI=1S/C11H13NO4/c1-7-5-3-4-6-8(7)9(10(13)14)12-11(15)16-2/h3-6,9H,1-2H3,(H,12,15)(H,13,14)/t9-/m1/s1
InChIKeyOJAHMEKGQSDVOR-SECBINFHSA-N
XLogP1.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzamido-2-(2-methylphenyl)acetic acid
CID 82092810
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
2-(3-methoxypropanoylamino)-2-(2-methylphenyl)acetic acid
CID 112508882
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454
2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
CID 82090476
2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
CID 12508749
2-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 12508747
2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid
CID 89206089
2-acetamido-2-(2,3-dimethylphenyl)acetic acid
CID 63701891
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 24903485
ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
CID 144861707

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid?
The IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid (CID 67681824) is (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid?
The canonical SMILES for (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid is COC(=O)N[C@@H](C(=O)O)c1ccccc1C.
What is the InChIKey of (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid?
The InChIKey is OJAHMEKGQSDVOR-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-5-3-4-6-8(7)9(10(13)14)12-11(15)16-2/h3-6,9H,1-2H3,(H,12,15)(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid?
(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 67681824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).